aluminum 2,2-bis(oxidanyl)octadecanoate

Systemtic Name: aluminum 2,2-bis(oxidanyl)octadecanoate Openeye Name: aluminum 2,2-dihydroxyoctadecanoate CAS Name: aluminum 2,2-dihydroxyoctadecanoate IUPAC Name: aluminum 2,2-dihydroxyoctadecanoate Traditional Name: aluminum 2,2-dihydroxystearate Formula: C54H105AlO12 MolecularWeight: 973.385838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)[O-])(O)O.CCCCCCCCCCCCCCCCC(C(=O)[O-])(O)O.CCCCCCCCCCCCCCCCC(C(=O)[O-])(O)O.[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)[O-])(O)O.CCCCCCCCCCCCCCCCC(C(=O)[O-])(O)O.CCCCCCCCCCCCCCCCC(C(=O)[O-])(O)O.[Al+3]

InChI

InChI=1S/3C18H36O4.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21,22)17(19)20;/h3*21-22H,2-16H2,1H3,(H,19,20);/q;;;+3/p-3